10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine

C122H72F8N14 — CID 162503003

IUPAC10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine
SMILESFc1c(F)c(N2c3ccccc3C(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc32)c(F)c(F)c1-c1c(F)c(F)c(N2c3ccccc3C(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc32)c(F)c1F
InChIInChI=1S/C122H72F8N14/c123-99-97(100(124)104(128)107(103(99)127)143-93-53-29-25-49-89(93)121(90-50-26-30-54-94(90)143,85-65-57-81(58-66-85)117-135-109(73-33-9-1-10-34-73)131-110(136-117)74-35-11-2-12-36-74)86-67-59-82(60-68-86)118-137-111(75-37-13-3-14-38-75)132-112(138-118)76-39-15-4-16-40-76)98-101(125)105(129)108(106(130)102(98)126)144-95-55-31-27-51-91(95)122(92-52-28-32-56-96(92)144,87-69-61-83(62-70-87)119-139-113(77-41-17-5-18-42-77)133-114(140-119)78-43-19-6-20-44-78)88-71-63-84(64-72-88)120-141-115(79-45-21-7-22-46-79)134-116(142-120)80-47-23-8-24-48-80/h1-72H
InChIKeyXGJJSVCINQEERL-UHFFFAOYSA-N
MW1886.00 g/mol
LogP29.54
Rot. Bonds19

About 10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine

10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine (PubChem CID 162503003) has the molecular formula C122H72F8N14 and a molecular weight of 1886.00 g/mol. Its IUPAC name is 10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine.

Molecular Properties

Compound Name10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine
PubChem CID162503003
Molecular FormulaC122H72F8N14
Molecular Weight1886.00 g/mol
Exact Mass1884.59
IUPAC Name10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine
SMILESFc1c(F)c(N2c3ccccc3C(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc32)c(F)c(F)c1-c1c(F)c(F)c(N2c3ccccc3C(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc32)c(F)c1F
InChIInChI=1S/C122H72F8N14/c123-99-97(100(124)104(128)107(103(99)127)143-93-53-29-25-49-89(93)121(90-50-26-30-54-94(90)143,85-65-57-81(58-66-85)117-135-109(73-33-9-1-10-34-73)131-110(136-117)74-35-11-2-12-36-74)86-67-59-82(60-68-86)118-137-111(75-37-13-3-14-38-75)132-112(138-118)76-39-15-4-16-40-76)98-101(125)105(129)108(106(130)102(98)126)144-95-55-31-27-51-91(95)122(92-52-28-32-56-96(92)144,87-69-61-83(62-70-87)119-139-113(77-41-17-5-18-42-77)133-114(140-119)78-43-19-6-20-44-78)88-71-63-84(64-72-88)120-141-115(79-45-21-7-22-46-79)134-116(142-120)80-47-23-8-24-48-80/h1-72H
InChIKeyXGJJSVCINQEERL-UHFFFAOYSA-N
XLogP29.54
TPSA161.16 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001886.00
LogP ≤ 529.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine?
The IUPAC name of 10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine (CID 162503003) is 10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine.
What is the SMILES notation for 10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine?
The canonical SMILES for 10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine is Fc1c(F)c(N2c3ccccc3C(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc32)c(F)c(F)c1-c1c(F)c(F)c(N2c3ccccc3C(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc32)c(F)c1F.
What is the InChIKey of 10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine?
The InChIKey is XGJJSVCINQEERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H72F8N14/c123-99-97(100(124)104(128)107(103(99)127)143-93-53-29-25-49-89(93)121(90-50-26-30-54-94(90)143,85-65-57-81(58-66-85)117-135-109(73-33-9-1-10-34-73)131-110(136-117)74-35-11-2-12-36-74)86-67-59-82(60-68-86)118-137-111(75-37-13-3-14-38-75)132-112(138-118)76-39-15-4-16-40-76)98-101(125)105(129)108(106(130)102(98)126)144-95-55-31-27-51-91(95)122(92-52-28-32-56-96(92)144,87-69-61-83(62-70-87)119-139-113(77-41-17-5-18-42-77)133-114(140-119)78-43-19-6-20-44-78)88-71-63-84(64-72-88)120-141-115(79-45-21-7-22-46-79)134-116(142-120)80-47-23-8-24-48-80/h1-72H.
What are the key properties of 10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine?
10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine has a molecular weight of 1886.00 g/mol, XLogP of 29.54, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine is sourced from PubChem (CID 162503003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).